NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5568 8.2185 120.1945 53.8354 41.6311 175.8288 3 A 3.9143 8.6568 130.0205 53.9835 18.6600 177.0334 4 K 4.0583 8.4697 119.8179 59.8080 32.6868 177.1776 5 A 4.1441 8.7822 121.4589 55.0130 18.1612 179.7242 6 G 3.7007 8.3349 104.4076 47.8877 0.0000 175.5258 7 E 3.4022 7.7935 119.8357 59.3054 29.5560 179.0338 8 A 4.0872 7.7461 120.5765 55.1672 18.4772 179.8957 9 V 3.5388 7.6988 116.3537 66.0410 31.7154 177.8183 10 F 4.0784 8.3422 120.3755 60.6543 38.8230 177.0750 11 K 3.7877 7.4334 117.6964 59.5422 32.0504 178.7797 12 Q 3.9178 7.9305 118.2998 59.0725 28.5315 178.5129 13 C 3.7820 7.4291 117.0978 62.6991 27.8782 175.5773 14 M 4.4858 7.0029 120.1208 57.0322 31.4495 178.1902 15 T 3.9058 7.3104 116.0572 65.9694 68.8538 174.5080 16 C 4.7060 7.7650 115.0438 59.0860 30.9618 173.0695 17 H 5.1427 8.3111 117.1474 53.7763 31.4166 172.9773 18 R 5.0410 8.1423 119.8032 54.1045 33.8355 177.0049 19 A 4.0542 8.7131 121.4561 55.2124 18.5341 179.1128 20 D 4.8401 8.0301 111.6664 54.0902 42.2572 176.3401 21 K 4.7565 7.6280 117.1342 54.1399 35.7425 175.5463 22 N 4.8193 8.5050 118.0027 53.7397 40.3593 174.8531 23 M 4.7878 8.1923 123.2029 54.9419 33.2418 176.6511 24 V 3.6936 8.9906 114.2266 64.9100 31.6366 175.4623 25 G 3.8000 8.0094 108.2246 42.2495 0.0000 170.6566 26 P 4.1637 0.0000 0.0000 61.4934 31.8576 176.2409 27 A 4.2826 8.5437 123.2801 53.1383 18.7980 177.8681 28 L 4.4091 8.6650 120.6719 54.4012 42.7770 176.7602 29 A 4.2545 8.0914 123.6995 53.4452 18.5659 177.7346 30 G 3.9505 9.3600 111.3376 46.0267 0.0000 175.2091 31 V 3.6370 7.8672 122.2865 64.0229 31.5176 176.0894 32 V 3.7420 7.5892 120.2217 65.7978 30.7749 175.3165 33 G 4.0397 9.4214 116.6563 44.8904 0.0000 171.8601 34 R 4.5489 8.0457 120.8811 54.0742 31.9459 175.5763 35 K 4.2934 8.6907 127.2355 56.4372 33.0567 176.1736 36 A 3.9078 8.5479 129.5218 52.7263 19.6197 177.6360 37 G 2.3075 8.4381 107.8088 46.5730 0.0000 174.2509 38 T 4.6088 7.7043 105.0616 60.3354 70.3075 173.4189 39 A 4.1169 8.7801 126.5657 52.1210 18.8290 177.5798 40 A 4.2388 8.6674 126.2628 53.9419 18.7189 178.0298 41 G 3.9949 9.1023 111.0710 45.2200 0.0000 172.9447 42 F 4.2732 7.8856 121.7716 56.9610 40.3751 175.2246 43 T 4.2147 6.8765 124.3782 62.4139 68.2071 174.2369 44 Y 4.7369 8.4424 124.5518 56.4570 39.6855 176.3748 45 S 4.4830 8.6137 116.1177 57.8278 65.0713 173.3837 46 P 4.3116 0.0000 0.0000 65.6854 31.1786 178.5679 47 L 4.0372 8.0391 118.5809 58.3418 42.0424 178.5186 48 N 4.4042 8.4299 116.7717 56.8886 39.0070 176.0396 49 H 3.9674 8.6369 120.0645 59.6809 29.9318 176.9158 50 N 4.3821 8.9046 118.4760 56.2624 38.2959 177.6606 51 S 4.3794 8.1475 116.6508 61.6719 62.9900 177.0122 52 G 3.7858 7.8167 109.6673 47.3157 0.0000 175.6377 53 E 3.9795 8.0307 119.6890 58.6387 29.5243 178.3923 54 A 4.3506 7.6866 118.6218 51.8523 18.9233 177.3970 55 G 3.8818 7.7563 104.5271 44.6783 0.0000 174.1417 56 L 3.5549 8.1681 124.2461 54.9055 42.7817 175.6625 57 V 4.4922 7.8020 126.2225 60.5231 33.8822 175.0225 58 W 4.7587 8.6045 128.5026 57.0109 30.3977 175.4522 59 T 5.0526 9.9583 113.8253 59.0181 71.7074 174.8494 60 A 4.0788 8.7884 122.9061 54.9746 17.9635 179.1915 61 D 4.5292 8.0868 117.4810 56.9589 41.2564 177.8647 62 N 4.6697 8.3895 115.9922 54.3619 37.8690 177.2496 63 I 3.6341 7.7763 122.6427 63.9948 36.8711 177.9209 64 V 3.5963 7.0707 119.3742 65.7826 31.6257 176.0827 65 P 4.4169 0.0000 0.0000 65.8549 31.1164 177.4162 66 Y 3.8703 7.4005 119.2273 60.6448 38.5024 178.4292 67 L 3.7177 8.0494 119.0655 57.2310 41.3819 179.3226 68 A 4.3212 7.5244 121.3799 53.7103 19.1062 176.8954 69 D 4.2788 7.7196 112.9253 51.7977 43.3375 173.9050 70 P 3.9720 0.0000 0.0000 65.3406 31.3708 177.7263 71 N 4.4453 8.2008 114.2347 56.3592 38.5754 177.1317 72 A 4.0304 8.3670 122.1080 55.0533 18.4381 179.3624 73 F 4.0651 8.5643 119.1667 61.6141 39.5999 177.3389 74 L 4.1281 8.5415 118.5376 57.8995 41.4695 179.7822 75 K 4.0632 8.4802 118.6539 59.1977 31.8675 179.4079 76 K 3.9015 8.2055 120.0243 59.2645 31.8755 178.5793 77 F 3.8958 8.0825 120.9627 61.4343 39.2765 177.1786 78 L 3.8043 8.1011 118.4418 57.9087 41.3628 179.6932 79 T 3.8098 7.9889 115.8160 66.6852 68.1901 176.6006 80 E 3.9602 8.1416 119.3949 58.5881 29.4899 178.5340 81 K 4.1465 7.1127 116.3150 55.6839 32.3991 176.8519 82 G 3.8579 8.0025 107.3296 46.7108 0.0000 173.9287 83 K 4.6160 8.0333 116.7025 55.2536 33.6365 178.9242 84 A 4.0154 8.3240 124.2846 55.2806 18.5341 180.4389 85 D 4.4270 8.0085 114.0004 56.1168 39.5522 177.0819 86 Q 4.2562 8.0372 116.9435 56.4325 29.1445 175.9064 87 A 4.7992 7.9419 121.0685 51.9615 19.3703 179.0665 88 V 3.5728 7.9155 114.1309 64.9767 31.8491 176.8808 89 G 4.0129 7.1894 105.8902 44.5166 0.0000 172.5645 90 V 4.6589 7.8831 111.3314 59.3187 34.7395 175.6372 91 T 4.4000 8.9920 116.4507 61.7015 67.7845 174.9944 92 K 4.1089 8.6000 123.9621 58.5347 32.4473 177.1859 93 M 4.2877 8.0036 118.9186 55.4619 31.4855 176.3325 94 T 4.4438 8.0316 119.7043 58.8726 67.7607 173.2178 95 F 4.7530 7.4673 126.0366 58.0561 42.7111 173.1250 96 K 4.3225 7.2557 125.4355 54.2890 35.9181 175.7561 97 L 4.2378 8.3198 122.8114 52.9668 43.4510 177.1553 98 A 3.8491 8.4933 130.1312 54.8641 18.8776 177.8342 99 N 4.3877 7.9736 115.1983 53.3705 39.7674 174.9412 100 E 3.9089 8.8190 128.8625 59.5063 29.8124 178.3789 101 Q 3.9526 8.1029 119.0211 59.3758 29.1092 178.0909 102 Q 4.0093 8.7990 119.4369 59.0057 28.7161 179.0723 103 R 3.9638 7.9991 119.1774 59.1561 30.1006 179.2364 104 K 4.0298 8.3702 118.6101 59.5368 32.0227 179.2442 105 D 4.3982 8.4260 119.6442 57.3315 40.7127 179.2325 106 V 3.7802 8.2607 120.1600 64.7576 31.4247 178.6585 107 V 3.5848 8.0311 118.8074 65.6366 31.0986 177.8834 108 A 4.0125 7.9433 120.0730 55.1362 18.4854 178.6752 109 Y 3.8751 8.0165 118.1713 60.7470 38.8757 178.0809 110 L 3.8421 8.3689 120.0841 57.7761 41.4936 179.3875 111 A 4.0105 7.8492 119.7833 54.5100 18.3576 178.7556 112 T 4.1908 7.2402 106.2299 61.5906 70.7549 175.9542 113 L 4.1336 7.2481 124.1833 53.3062 40.2579 177.0748 114 K 4.1120 7.8735 120.8085 56.4633 31.9572 177.1786 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 D 8.22 4.56 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.66 3.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.47 4.06 0.00 1.90 2.02 0.00 1.87 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.59 7.81 5 A 8.78 4.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.33 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.79 3.40 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 8 A 7.75 4.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.70 3.54 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.95 0.00 0.00 10 F 8.34 4.08 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.43 3.79 0.00 1.75 1.78 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.62 7.81 12 Q 7.93 3.92 0.00 2.08 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 13 C 7.43 3.78 0.00 2.02 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 M 7.00 4.49 0.00 1.83 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.22 0.00 15 T 7.31 3.91 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 16 C 7.77 4.71 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.31 5.14 0.00 3.04 3.08 0.00 5.55 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.14 5.04 0.00 2.05 1.83 0.00 3.12 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 19 A 8.71 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.03 4.84 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.63 4.76 0.00 1.71 1.69 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.37 7.81 22 N 8.51 4.82 0.00 2.81 2.97 0.00 0.00 6.63 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 M 8.19 4.79 0.00 2.06 1.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 24 V 8.99 3.69 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.91 0.00 0.00 25 G 8.01 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.16 0.00 1.99 1.02 0.00 3.36 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 27 A 8.54 4.28 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.66 4.41 0.00 1.80 1.70 0.75 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.09 4.25 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 9.36 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.87 3.64 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.79 0.00 0.00 32 V 7.59 3.74 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.94 0.00 0.00 33 G 9.42 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.05 4.55 0.00 2.21 2.00 0.00 3.17 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 35 K 8.69 4.29 0.00 1.74 1.65 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.33 7.81 36 A 8.55 3.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.44 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.70 4.61 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 39 A 8.78 4.12 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.67 4.24 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 9.10 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.89 4.27 0.00 3.12 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 6.88 4.21 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 44 Y 8.44 4.74 0.00 3.09 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.61 4.48 0.00 4.17 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.31 0.00 2.24 2.20 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 47 L 8.04 4.04 0.00 1.85 1.81 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.43 4.40 0.00 3.09 3.09 0.00 0.00 6.91 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.64 3.97 0.00 3.39 3.58 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.90 4.38 0.00 2.84 3.02 0.00 0.00 7.11 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.15 4.38 0.00 4.01 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.82 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.03 3.98 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 54 A 7.69 4.35 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.76 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.17 3.55 0.00 0.27 0.90 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.80 4.49 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.90 0.00 0.00 58 W 8.60 4.76 0.00 3.54 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 9.96 5.05 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 60 A 8.79 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.09 4.53 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.39 4.67 0.00 3.32 3.25 0.00 0.00 7.05 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.78 3.63 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.95 0.73 0.00 0.00 64 V 7.07 3.60 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.95 0.00 0.00 65 P 0.00 4.42 0.00 2.59 2.43 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.19 0.00 66 Y 7.40 3.87 0.00 1.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.05 3.72 0.00 1.82 1.64 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.52 4.32 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.72 4.28 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 3.97 0.00 2.13 1.80 0.00 3.49 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.39 0.00 71 N 8.20 4.45 0.00 2.78 2.93 0.00 0.00 6.96 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.37 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.56 4.07 0.00 3.36 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.54 4.13 0.00 1.97 1.90 1.29 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.48 4.06 0.00 1.92 1.89 0.00 1.83 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.73 1.61 7.81 76 K 8.21 3.90 0.00 1.91 1.87 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.42 7.81 77 F 8.08 3.90 0.00 2.67 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.10 3.80 0.00 1.76 1.88 1.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.99 3.81 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 80 E 8.14 3.96 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 81 K 7.11 4.15 0.00 1.61 1.63 0.00 1.54 0.00 0.00 1.35 0.00 0.00 2.64 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.68 0.95 7.81 82 G 8.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.03 4.62 0.00 1.84 1.71 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.43 7.81 84 A 8.32 4.02 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.01 4.43 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.04 4.26 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.29 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 87 A 7.94 4.80 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.92 3.57 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.01 0.00 0.00 89 G 7.19 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.88 4.66 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.98 0.00 0.00 91 T 8.99 4.40 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 92 K 8.60 4.11 0.00 1.95 1.96 0.00 1.93 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.55 7.81 93 M 8.00 4.29 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 94 T 8.03 4.44 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 95 F 7.47 4.75 0.00 2.88 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.26 4.32 0.00 1.41 1.54 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.66 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.16 1.23 7.81 97 L 8.32 4.24 0.00 1.53 1.41 1.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.49 3.85 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 7.97 4.39 0.00 2.75 2.71 0.00 0.00 6.82 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.82 3.91 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 101 Q 8.10 3.95 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.69 0.00 102 Q 8.80 4.01 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 103 R 8.00 3.96 0.00 2.03 1.98 0.00 3.36 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 104 K 8.37 4.03 0.00 1.94 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.66 7.81 105 D 8.43 4.40 0.00 2.71 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.26 3.78 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.12 0.00 0.00 107 V 8.03 3.58 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 108 A 7.94 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 8.02 3.88 0.00 3.23 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.37 3.84 0.00 1.83 1.65 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.85 4.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.24 4.19 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 113 L 7.25 4.13 0.00 1.84 1.52 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.87 4.11 0.00 1.69 1.69 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.33 7.81